[[2-bromanyl-4-(1-pyridin-2-yl-1-sulfanyl-ethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(1-pyridin-2-yl-1-sulfanyl-ethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[1-(2-pyridyl)-1-sulfanyl-ethyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[1-mercapto-1-(2-pyridinyl)ethyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(1-pyridin-2-yl-1-sulfanylethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[1-mercapto-1-(2-pyridyl)ethyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C14H13BrF2NO3PS MolecularWeight: 424.197487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)(C2=CC=CC=N2)S

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(F)(F)P(=O)(O)O)Br)(C2=CC=CC=N2)S

InChI

InChI=1S/C14H13BrF2NO3PS/c1-13(23,12-4-2-3-7-18-12)9-5-6-10(11(15)8-9)14(16,17)22(19,20)21/h2-8,23H,1H3,(H2,19,20,21)